CID 154699918

Ns00127419

Structural Information

Molecular Formula
C9H18Cl3N2O3P
SMILES
C1CO[P@](=O)(N(C1O)CCCl)N(CCCl)CCCl
InChI
InChI=1S/C9H18Cl3N2O3P/c10-2-5-13(6-3-11)18(16)14(7-4-12)9(15)1-8-17-18/h9,15H,1-8H2/t9?,18-/m0/s1
InChIKey
RAXABQCFPAWRSY-AHMWTOSDSA-N
Compound name
(2S)-2-[bis(2-chloroethyl)amino]-3-(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-4-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

338.01205 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.019326 165.0
[M+Na]+ 361.001268 171.6
[M-H]- 337.004774 164.8
[M+NH4]+ 356.045873 179.8
[M+K]+ 376.975208 168.5
[M+H-H2O]+ 321.009310 159.1
[M+HCOO]- 383.010251 174.1
[M+CH3COO]- 397.025901 208.0
[M+Na-2H]- 358.986716 165.0
[M]+ 338.01150142 169.2
[M]- 338.01259858 169.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.